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2-Chloro-4-Fluoro-5-Methylphenylacetonitrile CAS NO 1000513-29-0
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CAS No.:1000513-29-0
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
2-Chloro-4-Fluoro-5-Methylphenylacetonitrile is a versatile halogenated aromatic nitrile building block of significant importance in advanced organic synthesis. Its molecular structure, featuring chloro, fluoro, and methyl substituents on the phenyl ring, makes it a critical intermediate for constructing complex molecules with tailored properties. This compound is primarily sought after by research institutions and industrial manufacturers in the pharmaceutical and agrochemical sectors for the development of new active ingredients.
Application
- Pharmaceutical Intermediate: Key precursor in the synthesis of novel active pharmaceutical ingredients (APIs), particularly for molecules requiring a substituted benzonitrile core.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and insecticides, where the halogen pattern influences bioactivity.
- Liquid Crystal Materials: Serves as a building block for the synthesis of fluorinated liquid crystal compounds used in display technologies.
- Organic Electronic Materials: Intermediate in the development of organic semiconductors and other electronic materials due to its electron-withdrawing nitrile group.
- Cross-Coupling Reactions: Valuable substrate in palladium-catalyzed cross-coupling reactions (e.g., Suzuki, Sonogashira) for creating complex biaryl systems.
- Chemical Research & Development: Essential reagent for medicinal chemistry and process chemistry research in both academic and industrial settings.
Basic Information
| Item | Detail |
|---|---|
| Product Name | 2-Chloro-4-Fluoro-5-Methylphenylacetonitrile |
| CAS No. | 1000513-29-0 |
| Molecular Formula | C9H7ClFN |
| Molecular Weight | 183.61 g/mol |
| Synonyms | 2-Chloro-4-fluoro-5-methylbenzyl cyanide; (2-Chloro-4-fluoro-5-methylphenyl)acetonitrile; α-Chloro-2-fluoro-5-methylbenzeneacetonitrile; 2-Chloro-4-fluoro-5-methylbenzonitrile (common misnomer, refers to positional isomer); 5-Methyl-2-chloro-4-fluorophenylacetonitrile; CAS 1000513-29-0; Halogenated phenylacetonitrile derivative |
| EINECS | Contact for details |
Quality Control
Our production of 2-Chloro-4-Fluoro-5-Methylphenylacetonitrile adheres to stringent internal quality standards to ensure batch-to-batch consistency and reliability for your synthetic processes. Quality is verified through advanced analytical techniques including HPLC, GC, and NMR spectroscopy. A comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles is provided with each shipment and is available upon request.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (typically 15-25°C). Keep away from strong acids and incompatible organic solvents. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Purity (HPLC) | ≥ 98.0% |
| Melting Point | Contact for details |
| Loss on Drying | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 20 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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